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5,5'''''-Diheptadec-1-enyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Hexathiophene (or .alpha.,.omega.Dipentadecylvinylsexithiophene)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5,5'''''-Diheptadec-1-enyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Hexathiophene (or .alpha.,.omega.Dipentadecylvinylsexithiophene)
SpectraBase Compound ID IEtC8bAWYIw
InChI InChI=1S/C58H78S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47-35-37-49(59-47)51-39-41-53(61-51)55-43-45-57(63-55)58-46-44-56(64-58)54-42-40-52(62-54)50-38-36-48(60-50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-46H,3-30H2,1-2H3/b33-31+,34-32+
InChIKey YBWNEYNRAAZXHR-FMWAKIAMSA-N
Mol Weight 967.6 g/mol
Molecular Formula C58H78S6
Exact Mass 966.44278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXTAH4N7J8B
Name 5,5'''''-diheptadec-1-enyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-hexathiophene (or .alpha.,.omega.dipentadecylvinylsexithiophene)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 966.442779556 u
Formula C58H78S6
InChI InChI=1S/C58H78S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47-35-37-49(59-47)51-39-41-53(61-51)55-43-45-57(63-55)58-46-44-56(64-58)54-42-40-52(62-54)50-38-36-48(60-50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-46H,3-30H2,1-2H3/b33-31+,34-32+
InChIKey YBWNEYNRAAZXHR-FMWAKIAMSA-N
Molecular Weight 967.622 g/mol
SMILES C=1(SC(=CC1)C=1SC(\C=C\CCCCCCCCCCCCCCC)=CC1)C=1SC(C=2SC(C=3SC(C=4SC(\C=C\CCCCCCCCCCCCCCC)=CC4)=CC3)=CC2)=CC1